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Learning to sample from intractable distributions over discrete sets without relying on corresponding training data is a central problem in a wide range of fields, including Combinatorial Optimization. Currently, popular deep learning-based…

Machine Learning · Computer Science 2025-08-25 Sebastian Sanokowski , Sepp Hochreiter , Sebastian Lehner

Bayesian Optimization (BO) is a key methodology for accelerating molecular discovery by estimating the mapping from molecules to their properties while seeking the optimal candidate. Typically, BO iteratively updates a probabilistic…

Machine Learning · Computer Science 2025-12-17 Qi Chen , Fabio Ramos , Alán Aspuru-Guzik , Florian Shkurti

Modern learning systems increasingly rely on amortized learning - the idea of reusing computation or inductive biases shared across tasks to enable rapid generalization to novel problems. This principle spans a range of approaches,…

Machine Learning · Computer Science 2025-10-14 Sarthak Mittal , Divyat Mahajan , Guillaume Lajoie , Mohammad Pezeshki

Direct Preference Optimization (DPO) guides large language models (LLMs) to generate recommendations aligned with user historical behavior distributions by minimizing preference alignment loss. However, our systematic empirical research and…

Information Retrieval · Computer Science 2026-05-28 Chu Zhao , Enneng Yang , Jianzhe Zhao , Guibing Guo

For statistical modeling wherein the data regime is unfavorable in terms of dimensionality relative to the sample size, finding hidden sparsity in the ground truth can be critical in formulating an accurate statistical model. The so-called…

Optimization and Control · Mathematics 2025-08-04 Matteo Bergamaschi , Andrea Cristofari , Vyacheslav Kungurtsev , Francesco Rinaldi

We consider optimal decision-making problems in an uncertain environment. In particular, we consider the case in which the distribution of the input is unknown, yet there is abundant historical data drawn from the distribution. In this…

Optimization and Control · Mathematics 2014-10-03 Zizhuo Wang , Peter Glynn , Yinyu Ye

Quantifying the data uncertainty in learning tasks is often done by learning a prediction interval or prediction set of the label given the input. Two commonly desired properties for learned prediction sets are \emph{valid coverage} and…

Machine Learning · Computer Science 2022-05-31 Yu Bai , Song Mei , Huan Wang , Yingbo Zhou , Caiming Xiong

Standard probabilistic sparse coding assumes a Laplace prior, a linear mapping from latents to observables, and Gaussian observable distributions. We here derive a solely entropy-based learning objective for the parameters of standard…

Machine Learning · Statistics 2024-04-11 Dmytro Velychko , Simon Damm , Asja Fischer , Jörg Lücke

Continual learning aims to learn multiple tasks sequentially while preserving prior knowledge, but faces the challenge of catastrophic forgetting when adapting to new tasks. Recently, approaches leveraging pre-trained models have gained…

Computer Vision and Pattern Recognition · Computer Science 2025-11-12 Quan Cheng , Yuanyu Wan , Lingyu Wu , Chenping Hou , Lijun Zhang

Machine learning algorithms in high-dimensional settings are highly susceptible to the influence of even a small fraction of structured outliers, making robust optimization techniques essential. In particular, within the…

Machine Learning · Computer Science 2025-04-25 Changyu Gao , Andrew Lowy , Xingyu Zhou , Stephen J. Wright

Most reinforcement learning algorithms take advantage of an experience replay buffer to repeatedly train on samples the agent has observed in the past. Not all samples carry the same amount of significance and simply assigning equal…

Machine Learning · Computer Science 2023-11-02 Shivakanth Sujit , Somjit Nath , Pedro H. M. Braga , Samira Ebrahimi Kahou

This paper is concerned with the sample efficiency of reinforcement learning, assuming access to a generative model (or simulator). We first consider $\gamma$-discounted infinite-horizon Markov decision processes (MDPs) with state space…

Machine Learning · Computer Science 2025-03-18 Gen Li , Yuting Wei , Yuejie Chi , Yuxin Chen

This paper introduces a simple efficient learning algorithms for general sequential decision making. The algorithm combines Optimism for exploration with Maximum Likelihood Estimation for model estimation, which is thus named OMLE. We prove…

Machine Learning · Computer Science 2022-11-24 Qinghua Liu , Praneeth Netrapalli , Csaba Szepesvári , Chi Jin

Learning robot controllers by minimizing a black-box objective cost using Bayesian optimization (BO) can be time-consuming and challenging. It is very often the case that some roll-outs result in failure behaviors, causing premature…

Machine Learning · Computer Science 2020-11-11 Alonso Marco , Dominik Baumann , Philipp Hennig , Sebastian Trimpe

Meta-learning, the notion of learning to learn, enables learning systems to quickly and flexibly solve new tasks. This usually involves defining a set of outer-loop meta-parameters that are then used to update a set of inner-loop…

Machine Learning · Computer Science 2023-03-17 Chris Lu , Sebastian Towers , Jakob Foerster

Fine-tuning large language models (LLMs) has achieved remarkable success across various NLP tasks, but the substantial memory overhead during backpropagation remains a critical bottleneck, especially as model scales grow. Zeroth-order (ZO)…

Computation and Language · Computer Science 2026-01-09 Feihu Jin , Shipeng Cen , Ying Tan

Bayesian optimization has recently emerged as a popular method for the sample-efficient optimization of expensive black-box functions. However, the application to high-dimensional problems with several thousand observations remains…

Machine Learning · Computer Science 2020-02-26 David Eriksson , Michael Pearce , Jacob R Gardner , Ryan Turner , Matthias Poloczek

We propose a simple algorithm to train stochastic neural networks to draw samples from given target distributions for probabilistic inference. Our method is based on iteratively adjusting the neural network parameters so that the output…

Machine Learning · Statistics 2016-11-29 Dilin Wang , Qiang Liu

The traditional approach of hand-crafting priors (such as sparsity) for solving inverse problems is slowly being replaced by the use of richer learned priors (such as those modeled by deep generative networks). In this work, we study the…

Machine Learning · Computer Science 2021-05-14 Viraj Shah , Rakib Hyder , M. Salman Asif , Chinmay Hegde

Bilevel optimization has emerged as a technique for addressing a wide range of machine learning problems that involve an outer objective implicitly determined by the minimizer of an inner problem. While prior works have primarily focused on…

Machine Learning · Computer Science 2025-11-18 Fares El Khoury , Edouard Pauwels , Samuel Vaiter , Michael Arbel